QCMaquis

Openness:3 ★★★
Document quality:3 ★★★

An open-source application for obtaining optimized many-body wavefunctions expressed by matrix product states (MPS). By using a second-generation density matrix renormalization group (DMRG) algorithm, many-body wave functions can be efficiently optimized. The quantum-chemical operators are represented by matrix product operators (MPOs), which provides flexibility to accommodate various symmetries and relativistic effects.

Information

Official site

http://www.reiher.ethz.ch/software/maquis.html

License

Free of charge. Distributed via a git private repo on gitlab.com, but users can require access through web interface.

Availability	Unix/Linux
Related App	ALPS Molcas
Related keywords	Tensor network method
Document	S. Keller, M. Dolfi, M. Troyer, M. Reiher, J. Chem. Phys. 143, 244118 (2015). S. Battaglia, A. Muolo, S. Keller, S. Knecht, M. Reiher, in preparation. S. Keller and M. Reiher, J. Chem. Phys. 144, 134101 (2016).
Other	This is build upon the ALPS MPS. MOLCAS can use it as external module.